N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-(3-isoxazolylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(isoxazol-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-piperonylamide Formula: C20H22N5O4+ MolecularWeight: 396.41978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=NOC=C5

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)CC5=NOC=C5

InChI

InChI=1S/C20H21N5O4/c26-20(14-1-2-17-18(11-14)28-13-27-17)22-19-3-7-21-25(19)16-4-8-24(9-5-16)12-15-6-10-29-23-15/h1-3,6-7,10-11,16H,4-5,8-9,12-13H2,(H,22,26)/p+1